Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL877679 | 0.84 | ALDH1A1 (0.35) | ALDH1A1KDM4ERCE1PTGS2 | |
| SCHEMBL23700759 | 0.82 | OPRK1 (0.38) | ALDH1A1OPRK1KCNH2CHRM2CYP2D6 | |
| SCHEMBL2364652 | 0.79 | ALDH1A1 (0.38) | ALDH1A1OPRK1KCNH2CHRM2CYP2D6 | |
| SCHEMBL8560063 | 0.72 | ALDH1A1 (0.44) | ALDH1A1HTTPOLB | |
| SCHEMBL5995232 | 0.72 | MAPT (0.43) | KCNH2CHRM2CYP2D6CHRM1CHRM3 | |
| SCHEMBL1927339 | 0.70 | OPRK1 (0.43) | ALDH1A1OPRK1KCNH2CHRM2CYP2D6 | |
| SCHEMBL27942173 | 0.69 | ALDH1A1 (0.39) | ALDH1A1CYP2D6HTTMAPK1PTGS2 | |
| SCHEMBL2364868 | 0.69 | KMT2A (0.38) | ALDH1A1KDM4EMAPK1LMNAPOLB | |
| SCHEMBL8707463 | 0.66 | CYP2C19 (0.48) | ALDH1A1KDM4EHTT | |
| SCHEMBL785777 | 0.66 | KCNN4 (0.44) | ALDH1A1OPRK1KCNH2NPC1RAB9A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2619179-A1 | MATRIX METALLOPROTEINASE INHIBITORS | Ranbaxy Laboratories Limited (IN) | 2013-07-31 | — | — | EP | claimed |
| WO-2012038944-A1 | MATRIX METALLOPROTEINASE INHIBITORS | RANBAXY LABORATORIES LIMITED (IN) | 2012-03-29 | — | — | WO | claimed |